Huckel-IV

A molecular conduction simulator based on Extended Huckel Theory, running on nanoHUB.org. Similar to MolCToy, this simulator computes conductance for a molecule. In this model, however, you select a particular molecule with a real configuration of atoms, and the energy levels and resulting conductance are computed directly from first principles.

References: http://www.nanohub.org; F. Zahid, M. Paulsson, and S. Datta, "Electrical Conduction through Molecules," chapter published in "Advanced Semiconductors and Organic Nano-Techniques", H. Morkoc (ed), Academic Press 2003.

MolCToy simulator (molecular conduction toy model)

Running on nanoHUB.org. This online simulation capability is available to anyone who registers for a free account. In this toy model, you can compute the conductance through some molecule with one or two energy levels specified arbitrarily by the user.

References: http://www.nanohub.org; F. Zahid, M. Paulsson, and S. Datta, "Electrical Conduction through Molecules," chapter published in "Advanced Semiconductors and Organic Nano-Techniques", H. Morkoc (ed), Academic Press 2003.

Field Strength Data

Three students looking at field strength data from Professor Seng-Tiong Ho in 3D on a passive-stereo GeoWall display.

Photo Courtesy: Andrew Johnson / Electronic Visualization Laboratory (EVL), 6/17/05
http://www.evl.uic.edu/core.php

Atomic force microscopy image of an electrodeposited copper surface.

Reference: R.C. Alkire, R.D. Braatz, “Electrochemical engineering in an age of discovery and innovation”, AIChE J. 50 (2004) 2000-2007.

Schematic of copper electrodeposition process (not drawn to scale) and SEM image of copper trench used for fabrication of copper nanowires.

Reference: R.D. Braatz, R.C. Alkire, E. Rusli, T.O. Drews, “Multiscale systems engineering with applications to chemical reaction process”, Chem. Eng. Sci. 59 (2004) 5623-5628, and Yan Qin, Ph.D. thesis, (2005).

Multiscale simulation of the electrochemical process for manufacturing on-chip copper interconnects.

Reference: R.D. Braatz, R.C. Alkire, E. Rusli, T.O. Drews, “Multiscale systems engineering with applications to chemical reaction process”, Chem. Eng. Sci. 59 (2004) 5623-5628.

Multiscale simulation using (2+1)D kinetic Monte Carlo code coupled to a finite difference continuum code. Simulated electrode surface after 1 second of copper deposition at a low applied potential.

Reference: E. Rusli, T.O. Drews, R.D. Braatz, “Systems analysis and design of dynamically coupled multiscale reactor simulation codes”, Chem. Eng. Sci. 59 (2004) 5607-5613.